2-hydroxyethyl-methyl-(2-methylbutyl)azanium

C8H20NO+ — CID 21138852

IUPAC2-hydroxyethyl-methyl-(2-methylbutyl)azanium
SMILESCCC(C)C[NH+](C)CCO
InChIInChI=1S/C8H19NO/c1-4-8(2)7-9(3)5-6-10/h8,10H,4-7H2,1-3H3/p+1
InChIKeyINFVVVDHEQXDDE-UHFFFAOYSA-O
MW146.25 g/mol
LogP-0.46
Rot. Bonds5

About 2-hydroxyethyl-methyl-(2-methylbutyl)azanium

2-hydroxyethyl-methyl-(2-methylbutyl)azanium (PubChem CID 21138852) has the molecular formula C8H20NO+ and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-hydroxyethyl-methyl-(2-methylbutyl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl-methyl-(2-methylbutyl)azanium
PubChem CID21138852
Molecular FormulaC8H20NO+
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Name2-hydroxyethyl-methyl-(2-methylbutyl)azanium
SMILESCCC(C)C[NH+](C)CCO
InChIInChI=1S/C8H19NO/c1-4-8(2)7-9(3)5-6-10/h8,10H,4-7H2,1-3H3/p+1
InChIKeyINFVVVDHEQXDDE-UHFFFAOYSA-O
XLogP-0.46
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylbutan-1-ol;zirconium
CID 152608404
(3S,5R)-3,5-dimethylheptan-1-ol
CID 99134990
methane;3-methylpentane
CID 157218592
3-methylpentane;hydrate
CID 144914279
ethane;3-methylpentane
CID 91147782
3-methylpentane;propane
CID 123266773
methane;3-methylpentane
CID 153359275
14-methylhexadecan-1-ol
CID 5283264
(11S)-11-methyltridecan-1-ol
CID 71389600
(7S)-7-methylnonan-1-ol
CID 11105641
(10S)-10-methyldodecan-1-ol
CID 11715372
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-methyl-(2-methylbutyl)azanium?
The IUPAC name of 2-hydroxyethyl-methyl-(2-methylbutyl)azanium (CID 21138852) is 2-hydroxyethyl-methyl-(2-methylbutyl)azanium.
What is the SMILES notation for 2-hydroxyethyl-methyl-(2-methylbutyl)azanium?
The canonical SMILES for 2-hydroxyethyl-methyl-(2-methylbutyl)azanium is CCC(C)C[NH+](C)CCO.
What is the InChIKey of 2-hydroxyethyl-methyl-(2-methylbutyl)azanium?
The InChIKey is INFVVVDHEQXDDE-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19NO/c1-4-8(2)7-9(3)5-6-10/h8,10H,4-7H2,1-3H3/p+1.
What are the key properties of 2-hydroxyethyl-methyl-(2-methylbutyl)azanium?
2-hydroxyethyl-methyl-(2-methylbutyl)azanium has a molecular weight of 146.25 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-methyl-(2-methylbutyl)azanium is sourced from PubChem (CID 21138852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).